(E)-2-fluoro-3-formyloxyprop-2-enoic acid

C4H3FO4 — CID 155767663

IUPAC(E)-2-fluoro-3-formyloxyprop-2-enoic acid
SMILESO=CO/C=C(/F)C(=O)O
InChIInChI=1S/C4H3FO4/c5-3(4(7)8)1-9-2-6/h1-2H,(H,7,8)/b3-1+
InChIKeyBJZYFULRHZETFQ-HNQUOIGGSA-N
MW134.06 g/mol
LogP0.05
Rot. Bonds3

About (E)-2-fluoro-3-formyloxyprop-2-enoic acid

(E)-2-fluoro-3-formyloxyprop-2-enoic acid (PubChem CID 155767663) has the molecular formula C4H3FO4 and a molecular weight of 134.06 g/mol. Its IUPAC name is (E)-2-fluoro-3-formyloxyprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-fluoro-3-formyloxyprop-2-enoic acid
PubChem CID155767663
Molecular FormulaC4H3FO4
Molecular Weight134.06 g/mol
Exact Mass134.00
IUPAC Name(E)-2-fluoro-3-formyloxyprop-2-enoic acid
SMILESO=CO/C=C(/F)C(=O)O
InChIInChI=1S/C4H3FO4/c5-3(4(7)8)1-9-2-6/h1-2H,(H,7,8)/b3-1+
InChIKeyBJZYFULRHZETFQ-HNQUOIGGSA-N
XLogP0.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.06
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-formyloxyprop-2-enoic acid?
The IUPAC name of (E)-2-fluoro-3-formyloxyprop-2-enoic acid (CID 155767663) is (E)-2-fluoro-3-formyloxyprop-2-enoic acid.
What is the SMILES notation for (E)-2-fluoro-3-formyloxyprop-2-enoic acid?
The canonical SMILES for (E)-2-fluoro-3-formyloxyprop-2-enoic acid is O=CO/C=C(/F)C(=O)O.
What is the InChIKey of (E)-2-fluoro-3-formyloxyprop-2-enoic acid?
The InChIKey is BJZYFULRHZETFQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H3FO4/c5-3(4(7)8)1-9-2-6/h1-2H,(H,7,8)/b3-1+.
What are the key properties of (E)-2-fluoro-3-formyloxyprop-2-enoic acid?
(E)-2-fluoro-3-formyloxyprop-2-enoic acid has a molecular weight of 134.06 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-formyloxyprop-2-enoic acid is sourced from PubChem (CID 155767663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).